Drug General Information
Drug ID
D08DXA
Former ID
DNC010487
Drug Name
Acid blue 25
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530711]
Structure
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2D MOL

3D MOL

Formula
C20H13N2NaO5S
Canonical SMILES
C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O<br />)(=O)[O-].[Na+]
InChI
1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);/q;+1/p-1
InChIKey
LIKZXCROQGHXTI-UHFFFAOYSA-M
PubChem Compound ID
Target and Pathway
Target(s) 5'-Nucleotidase Target Info Inhibitor [530711]
P2Y purinoceptor 2 Target Info Inhibitor [530711]
BioCyc Pathway Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Adenosine nucleotides degradation
KEGG Pathway Purine metabolism
Pyrimidine metabolism
Nicotinate and nicotinamide metabolism
Metabolic pathwayshsa04080:Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
NetPath Pathway IL5 Signaling Pathway
PANTHER Pathway Purine metabolism
Pyrimidine Metabolism
Pathway Interaction Database HIF-1-alpha transcription factor network
Reactome Purine catabolismR-HSA-416476:G alpha (q) signalling events
P2Y receptors
Surfactant metabolism
WikiPathways Differentiation Pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
Metabolism of nucleotidesWP80:Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 530711J Med Chem. 2010 Mar 11;53(5):2076-86.Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold.
Ref 530711J Med Chem. 2010 Mar 11;53(5):2076-86.Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold.

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